(3-ethylpyrrolidin-1-yl)-(3-methylpyrrolidin-2-yl)methanone

C12H22N2O — CID 102780010

IUPAC(3-ethylpyrrolidin-1-yl)-(3-methylpyrrolidin-2-yl)methanone
SMILESCCC1CCN(C(=O)C2NCCC2C)C1
InChIInChI=1S/C12H22N2O/c1-3-10-5-7-14(8-10)12(15)11-9(2)4-6-13-11/h9-11,13H,3-8H2,1-2H3
InChIKeyKWROWDHUYANSIL-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.24
Rot. Bonds2

About (3-ethylpyrrolidin-1-yl)-(3-methylpyrrolidin-2-yl)methanone

(3-ethylpyrrolidin-1-yl)-(3-methylpyrrolidin-2-yl)methanone (PubChem CID 102780010) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (3-ethylpyrrolidin-1-yl)-(3-methylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(3-ethylpyrrolidin-1-yl)-(3-methylpyrrolidin-2-yl)methanone
PubChem CID102780010
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(3-ethylpyrrolidin-1-yl)-(3-methylpyrrolidin-2-yl)methanone
SMILESCCC1CCN(C(=O)C2NCCC2C)C1
InChIInChI=1S/C12H22N2O/c1-3-10-5-7-14(8-10)12(15)11-9(2)4-6-13-11/h9-11,13H,3-8H2,1-2H3
InChIKeyKWROWDHUYANSIL-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3-methylpyrrolidine-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 102780192
3-[1-(3-methylpyrrolidine-2-carbonyl)piperidin-3-yl]propanoic acid
CID 102779251
(3-methylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 85176427
[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-(3-methylpyrrolidin-2-yl)methanone
CID 102778861
(3-ethylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 115740814
N,N-dimethyl-1-(3-methylpyrrolidine-2-carbonyl)piperidine-4-carboxamide
CID 102778682
(3-methylpiperidin-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 63007381
[3-(dimethylamino)pyrrolidin-1-yl]-(3-methylpiperidin-2-yl)methanone
CID 55224694
(4-ethyl-3-methylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone
CID 63620867
[3-(diethylaminomethyl)pyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120942415
1-(3-ethylpyrrolidin-1-yl)propan-1-one
CID 90392056
[1-(3-methylpiperidine-2-carbonyl)piperidin-3-yl]methylurea
CID 107067784

Frequently Asked Questions

What is the IUPAC name of (3-ethylpyrrolidin-1-yl)-(3-methylpyrrolidin-2-yl)methanone?
The IUPAC name of (3-ethylpyrrolidin-1-yl)-(3-methylpyrrolidin-2-yl)methanone (CID 102780010) is (3-ethylpyrrolidin-1-yl)-(3-methylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (3-ethylpyrrolidin-1-yl)-(3-methylpyrrolidin-2-yl)methanone?
The canonical SMILES for (3-ethylpyrrolidin-1-yl)-(3-methylpyrrolidin-2-yl)methanone is CCC1CCN(C(=O)C2NCCC2C)C1.
What is the InChIKey of (3-ethylpyrrolidin-1-yl)-(3-methylpyrrolidin-2-yl)methanone?
The InChIKey is KWROWDHUYANSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-10-5-7-14(8-10)12(15)11-9(2)4-6-13-11/h9-11,13H,3-8H2,1-2H3.
What are the key properties of (3-ethylpyrrolidin-1-yl)-(3-methylpyrrolidin-2-yl)methanone?
(3-ethylpyrrolidin-1-yl)-(3-methylpyrrolidin-2-yl)methanone has a molecular weight of 210.32 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpyrrolidin-1-yl)-(3-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 102780010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).